Geometry & MOs

Info

ID:	374200
PubChem CID:	131325350
Reduced:	SO2H12C13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	232.067034
ΔH_f, kcal/mol:	-24.68
Dipole, Da:	5.15
IP(EA), eV:	-8.67(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(4-methoxy-1-benzothiophen-5-yl)propanenitrile

Drug info:

PubChemData

Smile

CC1=CSC(=C1C2=CC=CC=C2OC)C=O

DOS

IR

Vibrations